SCHEMBL7437701

SCHEMBL7437701

COC(=O)[C@@H](NCC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CYP2D6 P10635 1/20 0.40
CA7 P43166 2/20 0.38
CA9 Q16790 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KLK5 Q9Y337 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
BIRC2 Q13490 1/20 0.34
DGAT1 O75907 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7437694 1.00 CA12 (0.42) CA12CA14CYP2D6CA7CA9
SCHEMBL7438400 1.00 CA12 (0.42) CA12CA14CYP2D6CA7CA9
SCHEMBL7436296 0.88 CYP2D6 (0.39) CA12CA14CYP2D6CA7CTSS
SCHEMBL7436301 0.88 CYP2D6 (0.39) CA12CA14CYP2D6CA7CTSS
SCHEMBL7432224 0.85 PSENEN (0.43) CA12CA14CTSSCTSKPSENEN
SCHEMBL7432219 0.85 PSENEN (0.43) CA12CA14CTSSCTSKPSENEN
SCHEMBL20123382 0.85 CYP2D6 (0.37) CYP2D6CA7CTSSCTSKCA2
SCHEMBL3721605 0.85 PSENEN (0.43) CA12CA14CYP2D6CA7CTSS
SCHEMBL16894118 0.84 CTSK (0.42) CYP2D6CA7CTSSCTSKCA2
SCHEMBL3958728 0.84 CTSK (0.42) CYP2D6CA7CTSSCTSKCA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed